9-nitro-2,3,4,4a,6,10b-hexahydro-1,4-methano-5lambda~4~-dibenzo[c,e][1,2]thiazin-5(1H)-one
Chemical Structure Depiction of
9-nitro-2,3,4,4a,6,10b-hexahydro-1,4-methano-5lambda~4~-dibenzo[c,e][1,2]thiazin-5(1H)-one
9-nitro-2,3,4,4a,6,10b-hexahydro-1,4-methano-5lambda~4~-dibenzo[c,e][1,2]thiazin-5(1H)-one
Compound characteristics
| Compound ID: | 8016-1908 |
| Compound Name: | 9-nitro-2,3,4,4a,6,10b-hexahydro-1,4-methano-5lambda~4~-dibenzo[c,e][1,2]thiazin-5(1H)-one |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | C1CC2CC1C1C2S(Nc2ccc(cc12)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2339 |
| logD: | 3.2339 |
| logSw: | -3.7266 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.383 |
| InChI Key: | OVTVJYLZIGUUKR-UHFFFAOYSA-N |